@<TRIPOS>MOLECULE
BindingDB_11399
 47 48 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.4043    3.8162   15.2794  C     
2    C        -3.3048    4.9902   14.5958  C     
3    N        -4.4124    5.7607   14.3044  N     
4    C        -4.3827    6.8587   13.3670  C     
5    S        -5.9302    5.4744   15.0108  S     
6    O        -6.2476    6.4589   16.2189  O     
7    O        -7.1286    5.3733   13.9718  O     
8    C        -4.5719    3.2520   15.7488  C     
9    C        -5.7941    3.9070   15.6849  C     
10   C        -4.6679    1.9831   16.3453  C     
11   C        -5.9531    1.6267   16.7649  C     
12   S        -7.0125    2.9283   16.4043  S     
13   N        -8.0457    0.1357   17.8586  N     
14   S        -6.4049    0.1454   17.5324  S     
15   O        -6.1253   -1.0157   16.4868  O     
16   O        -5.5513   -0.0569   18.8540  O     
17   C        -1.9293    5.4059   14.2070  C     
18   C        -1.7171    3.3020   12.7592  C     
19   N        -1.0602    4.5365   13.3115  N     
20   C        -0.8012    2.2287   12.0860  C     
21   O        -1.2115    0.8571   12.3055  O     
22   C        -1.5981    0.0881   11.1518  C     
23   C        -0.2603    5.3257   12.2853  C     
24   C         0.5841    6.3804   12.8225  C     
25   C         1.9265    6.4109   12.6761  C     
26   H        -2.5713    3.3040   15.4776  H     
27   H        -3.8196    7.6912   13.7785  H     
28   H        -5.3733    7.2567   13.1206  H     
29   H        -3.9327    6.5374   12.4168  H     
30   H        -3.8574    1.3670   16.4740  H     
31   H        -8.4907   -0.7096   18.0081  H     
32   H        -8.5722    0.9215   17.6393  H     
33   H        -1.9626    6.4295   13.8242  H     
34   H        -1.3446    5.5348   15.1434  H     
35   H        -2.1827    2.7855   13.6033  H     
36   H        -2.4961    3.5705   12.0361  H     
37   H        -0.3392    4.1434   13.9371  H     
38   H        -0.6908    2.4351   11.0059  H     
39   H         0.2009    2.2909   12.5427  H     
40   H        -2.4855    0.5044   10.6572  H     
41   H        -1.8322   -0.9349   11.4874  H     
42   H        -0.7692    0.0107   10.4188  H     
43   H         0.4293    4.6508   11.7759  H     
44   H        -0.9372    5.7420   11.5303  H     
45   H         0.1700    7.1270   13.3325  H     
46   H         2.4566    7.1510   13.0477  H     
47   H         2.4044    5.6794   12.1977  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    8 1
     3    2    3 1
     4    2   17 1
     5    3    4 1
     6    3    5 1
     7    5    6 2
     8    5    7 2
     9    5    9 1
    10    8    9 2
    11    8   10 1
    12    9   12 1
    13   10   11 2
    14   11   12 1
    15   11   14 1
    16   13   14 am
    17   14   15 2
    18   14   16 2
    19   17   19 1
    20   18   19 1
    21   18   20 1
    22   19   23 1
    23   20   21 1
    24   21   22 1
    25   23   24 1
    26   24   25 2
    27    1   26 1
    28    4   27 1
    29    4   28 1
    30    4   29 1
    31   10   30 1
    32   13   31 1
    33   13   32 1
    34   17   33 1
    35   17   34 1
    36   18   35 1
    37   18   36 1
    38   19   37 1
    39   20   38 1
    40   20   39 1
    41   22   40 1
    42   22   41 1
    43   22   42 1
    44   23   43 1
    45   23   44 1
    46   24   45 1
    47   25   46 1
    48   25   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8707
  Crash		| -2.7415
  Polar		| 3.8942
  FragIndex	| 1
  FragRMSD	| 1.062